2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol

C15H28N2O5 — CID 158603014

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
SMILESNC(CO)(CO)CO.OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C11H17NO2.C4H11NO3/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;5-4(1-6,2-7)3-8/h1-5,13-14H,6-10H2;6-8H,1-3,5H2
InChIKeyHVWIXNRLJMNRMP-UHFFFAOYSA-N
MW316.40 g/mol
LogP-1.87
Rot. Bonds9

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol (PubChem CID 158603014) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
PubChem CID158603014
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
SMILESNC(CO)(CO)CO.OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C11H17NO2.C4H11NO3/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;5-4(1-6,2-7)3-8/h1-5,13-14H,6-10H2;6-8H,1-3,5H2
InChIKeyHVWIXNRLJMNRMP-UHFFFAOYSA-N
XLogP-1.87
TPSA130.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
4-[[benzyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 62116338
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol (CID 158603014) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol is NC(CO)(CO)CO.OCCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is HVWIXNRLJMNRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C4H11NO3/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11;5-4(1-6,2-7)3-8/h1-5,13-14H,6-10H2;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 316.40 g/mol, XLogP of -1.87, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 158603014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).